N-(4-chlorophenyl)-6,6-dimethyl-3H-1,3,5-triazine-2,4-diamine
N-(4-chlorophenyl)-6,6-dimethyl-3H-1,3,5-triazine-2,4-diamine结构式
|
常用名 | N-(4-chlorophenyl)-6,6-dimethyl-3H-1,3,5-triazine-2,4-diamine | 英文名 | N-(4-chlorophenyl)-6,6-dimethyl-3H-1,3,5-triazine-2,4-diamine |
|---|---|---|---|---|
| CAS号 | 5405-65-2 | 分子量 | 251.71500 | |
| 密度 | 1.38g/cm3 | 沸点 | 366.6ºC at 760 mmHg | |
| 分子式 | C11H14ClN5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 175.5ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | (6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
|---|
本表包含该物质理化参数，如熔点、沸点、密度、溶解度、旋光性等理化指标，无数据项标记为N/A。
| 密度 | 1.38g/cm3 |
|---|---|
| 沸点 | 366.6ºC at 760 mmHg |
| 分子式 | C11H14ClN5 |
| 分子量 | 251.71500 |
| 闪点 | 175.5ºC |
| 精确质量 | 251.09400 |
| PSA | 74.80000 |
| LogP | 1.73520 |
| InChIKey | PAAHLTWCKCGCRD-UHFFFAOYSA-N |
| SMILES | CC1(C)N=C(N)NC(Nc2ccc(Cl)cc2)=N1 |
| 折射率 | 1.661 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~%
N-(4-chlorophen... 5405-65-2 |
| 文献：Loo Journal of the American Chemical Society, 1954 , vol. 76, p. 5096,5098 Full Text Show Details Basu; Sen Journal of Scientific and Industrial Research, 1952 , vol. 11 B, p. 312 Full Text Show Details Carrington et al. Journal of the Chemical Society, 1954 , p. 1017,1026 Full Text Show Details Modest Journal of Organic Chemistry, 1956 , vol. 21, p. 1,12 |
|
~95%
N-(4-chlorophen... 5405-65-2 |
| 文献：Stevens, M. F. G.; Chui, Wai Keung; Castro, M. A. Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 4 p. 849 - 854 |
|
~%
N-(4-chlorophen... 5405-65-2 |
| 文献：Loo Journal of the American Chemical Society, 1954 , vol. 76, p. 5096,5098 Full Text Show Details Carrington et al. Journal of the Chemical Society, 1954 , p. 1017,1026 |
|
~%
N-(4-chlorophen... 5405-65-2 |
| 文献：Crounse Journal of Organic Chemistry, 1951 , vol. 16, p. 492,494 Full Text Show Details Birtwell Journal of the Chemical Society, 1952 , p. 1279,1282 Full Text Show Details Chase et al. Journal of the Chemical Society, 1951 , p. 3439,3442 Full Text Show Details Birtwell et al. Journal of the Chemical Society, 1948 , p. 1650 Full Text Show Details Modest Journal of Organic Chemistry, 1956 , vol. 21, p. 1,12 |
|
~%
N-(4-chlorophen... 5405-65-2 |
| 文献：Basu; Sen Journal of Scientific and Industrial Research, 1952 , vol. 11 B, p. 312 Full Text Show Details Modest Journal of Organic Chemistry, 1956 , vol. 21, p. 1,12 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 5 | |
|---|---|
| 下游产品 0 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源：The Scripps Research Institute Molecular Screening Center
靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源：The Scripps Research Institute Molecular Screening Center
靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源：The Scripps Research Institute Molecular Screening Center
靶标：muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源：Broad Institute
靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源：Broad Institute
靶标：N/A
External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源：The Scripps Research Institute Molecular Screening Center
靶标：muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源：The Scripps Research Institute Molecular Screening Center
靶标：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id：SIAE_INH_FP_1536_1X%INH PRUN
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实验名称：uHTS identification of small molecule modulators of NR3A
来源：Burnham Center for Chemical Genomics
靶标：N/A
External Id：SBCCG-A1015-NR3A-Primary-Assay
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实验名称：uHTS identification of small molecule modulators of Rev-erb Alpha.
来源：Burnham Center for Chemical Genomics
靶标：N/A
External Id：SBCCG-A1016-RevErbaLBD-Primary-Assay
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实验名称：MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint...
来源：Broad Institute
靶标：N/A
External Id：2084-01_Activator_SinglePoint_HTS_Activity
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本部分为该化合物相关常见问答，包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 5405-65-2的SMILES表达式是什么？ |
| A: 5405-65-2SMILES表达式为CC1(C)N=C(N)NC(Nc2ccc(Cl)cc2)=N1。 |
| Q: 5405-65-2的分子式是什么？ |
| A: 5405-65-2分子式为C11H14ClN5。 |
| Q: 5405-65-2的极性表面积PSA是多少？ |
| A: 5405-65-2极性表面积PSA为74.80000。 |
| Q: 5405-65-2的沸点是多少？ |
| A: 5405-65-2沸点为366.6ºC at 760 mmHg。 |
| Q: 5405-65-2的分子量是多少？ |
| A: 5405-65-2分子量为251.71500。 |
| Q: 5405-65-2的上游原料有哪些？ |
| A: 5405-65-2相关上游原料（CAS）：516-21-2;152-53-4;4022-81-5;67-64-1;20265-96-7。 |
| Q: 5405-65-2的InChIKey是什么？ |
| A: 5405-65-2InChIKey为PAAHLTWCKCGCRD-UHFFFAOYSA-N。 |
| Q: 5405-65-2的英文名称是什么？ |
| A: 5405-65-2英文名称为(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one。 |
| Q: 5405-65-2的LogP（油水分配系数）是多少？ |
| A: 5405-65-2LogP（油水分配系数）为1.73520。 |
| Q: 5405-65-2的中文名称是什么？ |
| A: 5405-65-2的中文名称为5405-65-2。 |
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